8E4E
[T:Ag+:T] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-21 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 1.00743 |
Spacegroup name | H 3 |
Unit cell lengths | 105.126, 105.126, 92.433 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.430 - 4.190 |
R-factor | 0.2232 |
Rwork | 0.222 |
R-free | 0.23830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gbi |
RMSD bond length | 0.007 |
RMSD bond angle | 1.012 |
Data reduction software | autoPROC |
Data scaling software | STARANISO |
Phasing software | AutoSol |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 64.863 | 64.863 | 4.628 |
High resolution limit [Å] | 4.189 | 10.110 | 4.189 |
Number of reflections | 3742 | 199 | 201 |
<I/σ(I)> | 14 | 51.6 | 0.7 |
Completeness [%] | 87.5 | ||
Redundancy | 10.9 | 11.2 | 11.4 |
CC(1/2) | 0.999 | 0.999 | 0.158 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 100 mM MOPS, 1.25 M magnesium sulfate, 720 uM silver nitrate |